1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone

C22H42N2O3 — CID 177123002

IUPAC1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
SMILESCC(C)C1CCN(C(=O)COCCCOCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H42N2O3/c1-18(2)21-8-12-24(13-9-21)22(25)17-27-15-5-14-26-16-20-6-10-23(11-7-20)19(3)4/h18-21H,5-17H2,1-4H3
InChIKeyCTXZGMSXRHNCGV-UHFFFAOYSA-N
MW382.59 g/mol
LogP3.42
Rot. Bonds10

About 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone

1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone (PubChem CID 177123002) has the molecular formula C22H42N2O3 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
PubChem CID177123002
Molecular FormulaC22H42N2O3
Molecular Weight382.59 g/mol
Exact Mass382.32
IUPAC Name1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
SMILESCC(C)C1CCN(C(=O)COCCCOCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C22H42N2O3/c1-18(2)21-8-12-24(13-9-21)22(25)17-27-15-5-14-26-16-20-6-10-23(11-7-20)19(3)4/h18-21H,5-17H2,1-4H3
InChIKeyCTXZGMSXRHNCGV-UHFFFAOYSA-N
XLogP3.42
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone with MolForge

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Related Compounds

2-(cyclopropylmethoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 99583114
ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
CID 176985365
2-(1-propan-2-ylpiperidin-4-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)oxyethanone
CID 176983354
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155031564
2-[2-(1-butan-2-ylpiperidin-4-yl)ethoxy]-1-(4-ethylpiperidin-1-yl)ethanone
CID 176984953
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 176986324
2-[2-(7-methyloctoxy)ethoxy]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 171593629

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone?
The IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone (CID 177123002) is 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone.
What is the SMILES notation for 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone?
The canonical SMILES for 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone is CC(C)C1CCN(C(=O)COCCCOCC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone?
The InChIKey is CTXZGMSXRHNCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O3/c1-18(2)21-8-12-24(13-9-21)22(25)17-27-15-5-14-26-16-20-6-10-23(11-7-20)19(3)4/h18-21H,5-17H2,1-4H3.
What are the key properties of 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone?
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone has a molecular weight of 382.59 g/mol, XLogP of 3.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone is sourced from PubChem (CID 177123002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).